%chk=000028071.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028071

0 1
 O    5.249500      -1.984900     -0.4079000    
 O   -1.117800       1.714600       1.734400    
 O   -5.096000      -2.411200      0.4524000    
 O   -5.245500       2.096000      -1.160800    
 O   -6.420200     -0.4008000     -0.9173000    
 N   0.9558000     -6.0199998E-02   1.374100    
 N    3.581300      0.1874000      0.2765000    
 C    1.163200      0.6182000      8.9000002E-02
 C    1.930100      -1.147800       1.527700    
 C    2.570700       1.213400      1.8000000E-03
 C    3.362700     -0.6108000       1.489400    
 C  -0.4089000     -0.5775000       1.467000    
 C    4.898000      0.3762000     -0.1580000    
 C   -1.386400      0.5779000       1.350800    
 C    5.727800     -0.7118000     -0.4991000    
 C    5.434900       1.675100     -0.2677000    
 C   -2.726300      0.3167000      0.7456000    
 C    7.038400     -0.5091000     -0.9314000    
 C    6.745600       1.877800     -0.7000000    
 C    7.547400      0.7859000      -1.031800    
 C   -3.354700       1.338700      7.2400004E-02
 C   -3.280000     -0.9347000      0.8868000    
 C   -4.532500      -1.177700      0.3229000    
 C   -4.607300       1.095600     -0.4913000    
 C   -5.196200     -0.1626000     -0.3660000    
 C    4.615700      -2.522800      -1.566500    
 C   -4.806000      -3.366400     -0.5663000    
 C   -6.105900       2.939900     -0.3983000    
 C   -6.537600     -0.2351000      -2.328500    
 H   0.4670000       1.446200     -7.5199999E-02
 H    1.018000     -8.6400002E-02 -0.7419000    
 H    1.800400      -1.901800      0.7394000    
 H    1.778700      -1.651700       2.490000    
 H    2.703500       1.625500      -1.006400    
 H    2.667800       2.036400      0.7214000    
 H    4.048600      -1.458700       1.575000    
 H    3.543500      2.4400000E-02   2.366800    
 H  -0.5745000      -1.049000       2.442600    
 H  -0.5908000      -1.314200      0.6758000    
 H    4.847000       2.551200     -5.7000001E-03
 H    7.669300      -1.354900      -1.190600    
 H    7.143300       2.885600     -0.7754000    
 H    8.568200      0.9436000      -1.367300    
 H   -2.898900       2.318900     -3.3799998E-02
 H   -2.787500      -1.731000       1.436000    
 H    3.746700      -1.919800      -1.848300    
 H    4.275900      -3.535100      -1.331500    
 H    5.322800      -2.575400      -2.400400    
 H   -5.331600      -4.294400     -0.3252000    
 H   -5.154100      -3.010500      -1.540800    
 H   -3.731500      -3.572300     -0.6035000    
 H   -5.537500       3.470400      0.3722000    
 H   -6.550600       3.675700      -1.074000    
 H   -6.909800       2.357000      6.1999999E-02
 H   -5.584300     -0.3919000      -2.845400    
 H   -7.250200     -0.9794000      -2.696300    
 H   -6.936700      0.7568000      -2.557900    


%chk=000028071-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028071

0 1
O 5.900984 -1.981226 0.330282
O -1.041229 1.788569 0.095729
O -4.852546 -2.897554 -0.184115
O -6.170240 1.831933 -0.112214
O -6.931081 -0.856181 -0.130527
N 1.064347 -0.091620 0.378295
N 3.931140 0.154762 0.038128
C 1.638628 0.646192 -0.772473
C 1.974331 -1.186335 0.791732
C 3.015325 1.226594 -0.411300
C 3.352657 -0.624011 1.170240
C -0.309790 -0.555114 0.164319
C 5.325469 0.439452 0.087161
C -1.363824 0.564531 0.079865
C 6.289893 -0.614674 0.235632
C 5.832242 1.765632 -0.037431
C -2.804349 0.157095 -0.028748
C 7.666739 -0.335235 0.324541
C 7.216333 2.037465 0.020688
C 8.143640 0.991539 0.221895
C -3.777147 1.191912 -0.064086
C -3.219393 -1.191474 -0.084419
C -4.592511 -1.522596 -0.174880
C -5.143257 0.874039 -0.133851
C -5.578607 -0.492105 -0.192912
C 5.341407 -2.534214 -0.922766
C -6.059400 -3.437403 -0.836764
C -5.775698 3.235172 0.061757
C -7.851220 -0.301766 -1.150214
H 0.961240 1.474962 -1.031574
H 1.749206 -0.025750 -1.663755
H 2.102891 -1.946917 -0.022561
H 1.543727 -1.698746 1.672587
H 3.442074 1.712208 -1.307059
H 2.875092 2.001894 0.377205
H 4.039869 -1.445651 1.426553
H 3.236383 0.035960 2.059529
H -0.591138 -1.214024 1.009263
H -0.417424 -1.182947 -0.762913
H 5.133715 2.600370 -0.148024
H 8.350172 -1.181155 0.454457
H 7.564669 3.072443 -0.071628
H 9.216963 1.198598 0.285647
H -3.416484 2.222808 -0.012062
H -2.511975 -2.024612 -0.074747
H 4.455366 -1.956099 -1.244996
H 5.062574 -3.573738 -0.689384
H 6.109446 -2.520481 -1.719852
H -5.863961 -4.518266 -0.917147
H -6.958238 -3.244678 -0.231784
H -6.191183 -3.004990 -1.847332
H -5.159739 3.586963 -0.787562
H -6.721694 3.795020 0.095967
H -5.219582 3.375583 1.007485
H -7.548882 -0.639387 -2.161096
H -8.838256 -0.715514 -0.894192
H -7.865174 0.797966 -1.103087


